General Information of the Compound
| Compound ID |
CP0276400
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| Compound Name |
(S)-N-cyclobutyl-2-isopropyl-N-(pyrrolidin-3-yl)benzamide
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| Structure |
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| Formula |
C18H26N2O
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| Molecular Weight |
286.419
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| Canonical SMILES |
CC(C)c1ccccc1C(=O)N(C1CCC1)[C@H]1CCNC1
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| InChI |
InChI=1S/C18H26N2O/c1-13(2)16-8-3-4-9-17(16)18(21)20(14-6-5-7-14)15-10-11-19-12-15/h3-4,8-9,13-15,19H,5-7,10-12H2,1-2H3/t15-/m0/s1
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| InChIKey |
GLMKIAAMEYVAIS-HNNXBMFYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter